CID 24770810

26-hexacosanolide

Structural Information

Molecular Formula
C26H50O2
SMILES
C1CCCCCCCCCCCCC(=O)OCCCCCCCCCCCC1
InChI
InChI=1S/C26H50O2/c27-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-28-26/h1-25H2
InChIKey
MYBBGYHMPJENNR-UHFFFAOYSA-N
Compound name
oxacycloheptacosan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.38107 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.38835 198.8
[M+Na]+ 417.37029 191.3
[M-H]- 393.37379 199.8
[M+NH4]+ 412.41489 202.8
[M+K]+ 433.34423 190.4
[M+H-H2O]+ 377.37833 194.7
[M+HCOO]- 439.37927 203.4
[M+CH3COO]- 453.39492 204.1
[M+Na-2H]- 415.35574 191.9
[M]+ 394.38052 176.6
[M]- 394.38162 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.